SCHEMBL4698661

SCHEMBL4698661

CCC1(c2cccc(N)c2)C2C(=O)N(Cc3ccccc3)C(=O)C21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
ADRA2A P08913 1/20 0.43
NISCH Q9Y2I1 1/20 0.43
CYP2C19 P33261 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP19A1 P11511 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ACHE P22303 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14564780 0.85 CYP19A1 (0.43) ELANEADRA2ANISCHCYP2C19MEN1
SCHEMBL4699728 0.85 ELANE (0.43) ELANEADRA2ANISCHCYP2C19MEN1
SCHEMBL6984869 0.85 ELANE (0.44) ELANEADRA2ANISCHMEN1KMT2A
SCHEMBL14564776 0.83 ELANE (0.47) ELANEADRA2ANISCHCYP2C19MEN1
SCHEMBL4702789 0.83 CMA1 (0.49) ELANEADRA2ANISCHCYP2C19MEN1
SCHEMBL4701920 0.81 TDP1 (0.56) ADRA2ANISCHCYP2C19MEN1KMT2A
SCHEMBL4700020 0.81 ELANE (0.47) ELANEADRA2ANISCHCYP2C19MEN1
SCHEMBL7073299 0.80 CYP19A1 (0.40) CYP19A1ALDH1A1TSHR
SCHEMBL4700275 0.80 ELANE (0.46) ELANEADRA2ANISCHCYP2C19MEN1
SCHEMBL4697742 0.79 OPRM1 (0.55) ADRA2ANISCH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1440059-B1 3-AZABICYCLO(3.1.0)HEXANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2008-04-16 EP disclosed
US-20070054950-A1 3-Azabicyclo[3.1.0]hexane derivatives PFIZER INC. 2007-03-08 US disclosed
US-7049335-B2 3-azabicyclo[3.1.0]hexane derivatives PFIZER INC. (US) 2006-05-23 US disclosed
US-20050171178-A1 3-Azabicyclo[3.1.0]hexane derivatives PFIZER INC 2005-08-04 US disclosed
EP-1440059-A1 3-AZABICYCLO(3.1.0)HEXANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2004-07-28 EP disclosed
US-20030207876-A1 3-Azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER, INC. 2003-11-06 US disclosed
US-20030087898-A1 3-azabicyclo[3.1.0]hexane derivatives PFIZER INC. 2003-05-08 US disclosed
WO-2003035622-A1 3-AZABICYCLO (3.1.0) HEXANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-05-01 WO disclosed
EP-1292574-A1 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVES HAVING OPIOID RECEPTOR AFFINITY PFIZER INC. (US) 2003-03-19 EP disclosed
US-20020025948-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. 2002-02-28 US disclosed
WO-2001098267-A1 3-AZABICYCLO (3.1.0) HEXANE DERIVATIVES HAVING OPIOID RECEPTOR AFFINITY PFIZER LIMITED (GB) 2001-12-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030207876-A1 3-Azabicyclo[3.1.0]hexane derivatives useful in therapy OPRD1, OPRK1, OPRM1 ELANE 601/4885ADRA2A 38/4885NISCH 1983/4885
US-20030087898-A1 3-azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 ELANE 1990/4885ADRA2A 163/4885NISCH 2548/4885
US-20020025948-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRD1, OPRK1, OPRM1 ELANE 601/4885ADRA2A 38/4885NISCH 1983/4885
US-20050171178-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 ELANE 1589/4885ADRA2A 206/4885NISCH 2256/4885
US-20070054950-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 ELANE 1589/4885ADRA2A 219/4885NISCH 2246/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.